(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (6-chloro-4-oxo-chromen-3-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (6-chloro-4-oxo-1-benzopyran-3-yl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (6-chloro-4-oxochromen-3-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (6-chloro-4-keto-chromen-3-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C24H22ClN2O2+ MolecularWeight: 405.89668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=COC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN2O2/c25-21-6-7-23-22(14-21)24(28)20(17-29-23)16-27(15-19-8-11-26-12-9-19)13-10-18-4-2-1-3-5-18/h1-9,11-12,14,17H,10,13,15-16H2/p+1